Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTKIIVIVGPTAVGKTALAIEVAKRFNGEVVSGDSQQVYRGLDIGTAKASPEEQAAVPHHLIDVREITESYSAFDFVSEAKMTIEDIHSRGKLAIIAGGTGLYIQSLLEGYHLGGETPHE-EILAYRASLEP----YSDEELAHLVEQ------AGLEIPQFNRRRAMRALEIAHFG-QDLENQEILYEPLIICLDDERSQLYERINHRVDLMFEAGLLDEAKWLFDHS-PNVQAAKGIGYKELFPYFRGEQTFEEARESLKQATRRFAKRQLTWFRNRMQV-TFYQIGESGVQDRILSQIEEFLDD 3EXA Chain:B ((2-305)) -KEKLVAIVGPTAVGKTKTSVMLAKRLNGEVISGDSMQVYRGMDIGTAKITAEEMDGVPHHLIDIKDPSESFSVADFQDLATPLITEIHERGRLPFLVGGTGLYVNAVIHQFNLG-DIRADEDY---RHELEAFVNSYGVQALHDKLSKIDPKAAAAIHP-N-NYRRVIRALEIIKLTG-------SPYNLVMIGLTMERDVLYDRINRRVDQMVEEGLIDEAKKLYDRGIRDCQSVQAIGYKEMYDYLDGNVTLEEAIDTLKRNSRRYAKRQLTWFRNK-ANVTWFDMTDVDFDKKIME-IHNFI--

General information: TITO was launched using: RESULT: Template: 3EXA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1228 -27267 -22.20 -98.79 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -22.20 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_3EXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EXA-query.scw PDB file : Tito_Scwrl_3EXA.pdb: